N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide

C7H15NO3S — CID 90690340

IUPACN-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide
SMILESC=C(C)COCCNC.O=S=O
InChIInChI=1S/C7H15NO.O2S/c1-7(2)6-9-5-4-8-3;1-3-2/h8H,1,4-6H2,2-3H3;
InChIKeyBHZDJBFYMQOGJI-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.13
Rot. Bonds5

About N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide

N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide (PubChem CID 90690340) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide.

Molecular Properties

Compound NameN-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide
PubChem CID90690340
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide
SMILESC=C(C)COCCNC.O=S=O
InChIInChI=1S/C7H15NO.O2S/c1-7(2)6-9-5-4-8-3;1-3-2/h8H,1,4-6H2,2-3H3;
InChIKeyBHZDJBFYMQOGJI-UHFFFAOYSA-N
XLogP0.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide?
The IUPAC name of N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide (CID 90690340) is N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide.
What is the SMILES notation for N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide?
The canonical SMILES for N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide is C=C(C)COCCNC.O=S=O.
What is the InChIKey of N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide?
The InChIKey is BHZDJBFYMQOGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.O2S/c1-7(2)6-9-5-4-8-3;1-3-2/h8H,1,4-6H2,2-3H3;.
What are the key properties of N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide?
N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide has a molecular weight of 193.27 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylprop-2-enoxy)ethanamine;sulfur dioxide is sourced from PubChem (CID 90690340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).